SCHEMBL1107305

SCHEMBL1107305

CC(C)C(=O)[C@H](CC1CCCCC1)N1C(=O)NC2(CCCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
USP19 O94966 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4597353 0.82 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4597158 0.82 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4595627 0.81 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4597700 0.81 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4595759 0.73 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL22652656 0.73 HDAC3 (0.35)
SCHEMBL4595768 0.73 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL2656670 0.72 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL1107319 0.72 MMP1 (0.36) LMNA
SCHEMBL4597654 0.71 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2RAB9AMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK L3MBTL1 3077/4885ALDH1A1 4045/4885USP19 2569/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 L3MBTL1 2631/4885ALDH1A1 4620/4885USP19 3359/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 L3MBTL1 2631/4885ALDH1A1 4539/4885USP19 3175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.